COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK139838
Chemical Name: ethyl4-[({[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccccc1Cl

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Molecular Weight: 444.94
Empirical Formula: C21H21ClN4O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.814
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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